N-[2-[1-[2-(4-azanyl-3-butyl-phenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-N-propan-2-yl-prop-2-enamide bromide

Systemtic Name: N-[2-[1-[2-(4-azanyl-3-butyl-phenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-N-propan-2-yl-prop-2-enamide bromide Openeye Name: N-[2-[1-[2-(4-amino-3-butyl-phenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-N-isopropyl-prop-2-enamide bromide CAS Name: N-[2-[1-[2-(4-amino-3-butylphenyl)ethyl]-1-piperidin-1-iumyl]ethyl]-N-propan-2-yl-2-propenamide bromide IUPAC Name: N-[2-[1-[2-(4-amino-3-butylphenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-N-propan-2-ylprop-2-enamide bromide Traditional Name: N-[2-[1-[2-(4-amino-3-butyl-phenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-N-isopropyl-acrylamide bromide Formula: C25H42BrN3O MolecularWeight: 480.52448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)CC[N+]2(CCCCC2)CCN(C(C)C)C(=O)C=C)N.[Br-]

Isomeric SMILES

CCCCC1=C(C=CC(=C1)CC[N+]2(CCCCC2)CCN(C(C)C)C(=O)C=C)N.[Br-]

InChI

InChI=1S/C25H42N3O.BrH/c1-5-7-11-23-20-22(12-13-24(23)26)14-18-28(16-9-8-10-17-28)19-15-27(21(3)4)25(29)6-2;/h6,12-13,20-21H,2,5,7-11,14-19,26H2,1,3-4H3;1H/q+1;/p-1